SCHEMBL4453557

SCHEMBL4453557

CCCCc1ccccc1P(=O)(O)Oc1cccc(CCCC)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.39
PPARA Q07869 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PTK2B Q14289 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4449167 0.97 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4452106 0.96 LTB4R (0.40) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL11125294 0.95 PPARA (0.45) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4451256 0.95 LTB4R (0.44) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4454808 0.92 PPARA (0.40) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4451594 0.91 ALOX5 (0.39) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4454781 0.90 THRA (0.40) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4458071 0.89 LTB4R (0.42) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4462328 0.88 ALOX5 (0.39) LTB4RLTB4R2ALOX5PTGS2HIF1A
SCHEMBL4458049 0.87 MAPT (0.44) ALOX5PTGS2HIF1APPARATHRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
EP-0013744-B1 CATALYST AND PROCESS FOR THE POLYMERIZATION OF ALPHA-OLEFINS AND A PROCESS FOR PREPARING AN ALPHA-OLEFIN POLYMERIZATION CATALYST COMPONENT Standard Oil Company (US) 1984-11-07 EP disclosed
US-4233182-A High activity catalyst for the polymerization of alpha-olefins STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
US-4233253-A Method for the preparation of metal salts of phosphorus acid esters STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
EP-0013744-A1 Catalyst and process for the polymerization of alpha-olefins and a process for preparing an alpha-olefin polymerization catalyst component Standard Oil Company (US) 1980-08-06 EP disclosed